CID 85798591

Dtxsid001369819

Structural Information

Molecular Formula
C22H42N2O7Si2
SMILES
CCO[Si](CCCNC(=O)N(CCC[Si](OC)(OC)OC)C1=CC=CC=C1)(OCC)OCC
InChI
InChI=1S/C22H42N2O7Si2/c1-7-29-33(30-8-2,31-9-3)19-13-17-23-22(25)24(21-15-11-10-12-16-21)18-14-20-32(26-4,27-5)28-6/h10-12,15-16H,7-9,13-14,17-20H2,1-6H3,(H,23,25)
InChIKey
CUONREGJOYEUQZ-UHFFFAOYSA-N
Compound name
1-phenyl-3-(3-triethoxysilylpropyl)-1-(3-trimethoxysilylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

502.25305 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.26033 220.6
[M+Na]+ 525.24227 219.7
[M-H]- 501.24577 222.8
[M+NH4]+ 520.28687 223.5
[M+K]+ 541.21621 221.1
[M+H-H2O]+ 485.25031 210.7
[M+HCOO]- 547.25125 230.6
[M+CH3COO]- 561.26690 243.2
[M+Na-2H]- 523.22772 222.5
[M]+ 502.25250 233.0
[M]- 502.25360 233.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.